The aim of this crate is to provide Microbiology friendly Rust functions for bioinformatics.
Very much under construction!
Some concepts with many thanks to Rust-bio
To install Rust - please see here Rust install or with Conda
If you would like to contribute please follow the Rust code of conduct
Questions and comments - please join the Discord server :) here
Currently there is functionality for:
You are able to parse genbank and save as a GFF (gff3) format as well as extracting DNA sequences, gene DNA sequences (ffn) and protein fasta sequences (faa)
pub fn genbank_to_faa() -> Result<(), anyhow::Error> {
let args: Vec<String> = env::args().collect();
let config = Config::new(&args).unwrap_or_else(|err| {
println!("Problem with parsing file arguments: {}", err);
process::exit(1);
});
let file_gbk = fs::File::open(config.filename)?;
let mut reader = Reader::new(file_gbk);
let mut records = reader.records();
let mut cds_counter: u32 = 0;
loop {
//collect from each record advancing on a next record basis, count cds records
match records.next() {
Some(Ok(mut record)) => {
for (k, v) in &record.cds.attributes {
match record.seq_features.get_sequence_faa(&k) {
Some(value) => { let seq_faa = value.to_string();
println!(">{}|{}\n{}", &record.id, &k, seq_faa);
},
_ => (),
};
}
cds_counter+=1;
},
Some(Err(e)) => { println!("Error encountered - an err {:?}", e); },
None => {
println!("finished iteration");
break; },
}
}
println!("Total records processed: {}", read_counter);
return Ok(());
}
Example to save a provided multi- or single genbank file as a GFF file (by joining any multi-genbank)
pub fn genbank_to_gff() -> io::Result<()> {
let args: Vec<String> = env::args().collect();
let config = Config::new(&args).unwrap_or_else(|err| {
println!("Problem with parsing file arguments: {}", err);
process::exit(1);
});
let file_gbk = fs::File::open(&config.filename)?;
let prev_start: u32 = 0;
let mut prev_end: u32 = 0;
let mut reader = Reader::new(file_gbk);
let mut records = reader.records();
let mut read_counter: u32 = 0;
let mut seq_region: BTreeMap<String, (u32,u32)> = BTreeMap::new();
let mut record_vec: Vec<Record> = Vec::new();
loop {
match records.next() {
Some(Ok(mut record)) => {
//println!("next record");
//println!("Record id: {:?}", record.id);
let source = record.source_map.source_name.clone().expect("issue collecting source name");
let beginning = match record.source_map.get_start(&source) {
Some(value) => value.get_value(),
_ => 0,
};
let ending = match record.source_map.get_stop(&source) {
Some(value) => value.get_value(),
_ => 0,
};
if ending + prev_end < beginning + prev_end {
}
seq_region.insert(source, (beginning + prev_end, ending + prev_end));
record_vec.push(record);
// Add additional fields to print if needed
read_counter+=1;
prev_end+=ending; // create the joined record if there are multiple
},
Some(Err(e)) => { println!("theres an err {:?}", e); },
None => {
println!("finished iteration");
break; },
}
}
let output_file = format!("{}.gff", &config.filename);
gff_write(seq_region.clone(), record_vec, &output_file, true);
println!("Total records processed: {}", read_counter);
return Ok(());
Example to create a completely new record, use of setters or set_ functionality
To write into GFF format requires gff_write(seq_region, record_vec, filename, true or false)
The seq_region is the region of interest to save with name and DNA coordinates such as seqregion.entry("source_1".to_string(), (1,897))
This makes it possible to save the whole file or to subset it
record_vec is a list of the records. If there is only one record, include this as a vec using vec![record]
The boolean true/false describes whether the DNA sequence should be included in the GFF3 file
To write into genbank format requires gbk_write(seq_region, record_vec, filename), no true or false since genbank format will include the DNA sequence
pub fn create_new_record() -> Result<(), anyhow::Error> {
let filename = format!("new_record.gff");
let mut record = Record::new();
let mut seq_region: BTreeMap<String, (u32,u32)> = BTreeMap::new();
//example from E.coli K12
seq_region.insert("source_1".to_string(), (1,897));
//Add the source into SourceAttributes
record.source_map
.set_counter("source_1".to_string())
.set_start(RangeValue::Exact(1))
.set_stop(RangeValue::Exact(897))
.set_organism("Escherichia coli".to_string())
.set_mol_type("DNA".to_string())
.set_strain("K-12 substr. MG1655".to_string())
.set_type_material("type strain of Escherichia coli K12".to_string())
.set_db_xref("PRJNA57779".to_string());
//Add the features into FeatureAttributes, here we are setting two features, i.e. coding sequences or genes
record.cds
.set_counter("b3304".to_string())
.set_start(RangeValue::Exact(1))
.set_stop(RangeValue::Exact(354))
.set_gene("rplR".to_string())
.set_product("50S ribosomal subunit protein L18".to_string())
.set_codon_start(1)
.set_strand(-1);
record.cds
.set_counter("b3305".to_string())
.set_start(RangeValue::Exact(364))
.set_stop(RangeValue::Exact(897))
.set_gene("rplF".to_string())
.set_product("50S ribosomal subunit protein L6".to_string())
.set_codon_start(1)
.set_strand(-1);
//Add the sequences for the coding sequence (CDS) into SequenceAttributes
record.seq_features
.set_counter("b3304".to_string())
.set_start(RangeValue::Exact(1))
.set_stop(RangeValue::Exact(354))
.set_sequence_ffn("ATGGATAAGAAATCTGCTCGTATCCGTCGTGCGACCCGCGCACGCCGCAAGCTCCAGGAG
CTGGGCGCAACTCGCCTGGTGGTACATCGTACCCCGCGTCACATTTACGCACAGGTAATT
GCACCGAACGGTTCTGAAGTTCTGGTAGCTGCTTCTACTGTAGAAAAAGCTATCGCTGAA
CAACTGAAGTACACCGGTAACAAAGACGCGGCTGCAGCTGTGGGTAAAGCTGTCGCTGAA
CGCGCTCTGGAAAAAGGCATCAAAGATGTATCCTTTGACCGTTCCGGGTTCCAATATCAT
GGTCGTGTCCAGGCACTGGCAGATGCTGCCCGTGAAGCTGGCCTTCAGTTCTAA".to_string())
.set_sequence_faa("MDKKSARIRRATRARRKLQELGATRLVVHRTPRHIYAQVIAPNGSEVLVAASTVEKAIAE
QLKYTGNKDAAAAVGKAVAERALEKGIKDVSFDRSGFQYHGRVQALADAAREAGLQF".to_string())
.set_codon_start(1)
.set_strand(-1);
record.seq_features
.set_counter("bb3305".to_string())
.set_start(RangeValue::Exact(364))
.set_stop(RangeValue::Exact(897))
.set_sequence_ffn("ATGTCTCGTGTTGCTAAAGCACCGGTCGTTGTTCCTGCCGGCGTTGACGTAAAAATCAAC
GGTCAGGTTATTACGATCAAAGGTAAAAACGGCGAGCTGACTCGTACTCTCAACGATGCT
GTTGAAGTTAAACATGCAGATAATACCCTGACCTTCGGTCCGCGTGATGGTTACGCAGAC
GGTTGGGCACAGGCTGGTACCGCGCGTGCCCTGCTGAACTCAATGGTTATCGGTGTTACC
GAAGGCTTCACTAAGAAGCTGCAGCTGGTTGGTGTAGGTTACCGTGCAGCGGTTAAAGGC
AATGTGATTAACCTGTCTCTGGGTTTCTCTCATCCTGTTGACCATCAGCTGCCTGCGGGT
ATCACTGCTGAATGTCCGACTCAGACTGAAATCGTGCTGAAAGGCGCTGATAAGCAGGTG
ATCGGCCAGGTTGCAGCGGATCTGCGCGCCTACCGTCGTCCTGAGCCTTATAAAGGCAAG
GGTGTTCGTTACGCCGACGAAGTCGTGCGTACCAAAGAGGCTAAGAAGAAGTAA".to_string())
.set_sequence_faa("MSRVAKAPVVVPAGVDVKINGQVITIKGKNGELTRTLNDAVEVKHADNTLTFGPRDGYAD
GWAQAGTARALLNSMVIGVTEGFTKKLQLVGVGYRAAVKGNVINLSLGFSHPVDHQLPAG
ITAECPTQTEIVLKGADKQVIGQVAADLRAYRRPEPYKGKGVRYADEVVRTKEAKKK".to_string())
.set_codon_start(1)
.set_strand(-1);
//Add the full sequence of the entire record into the record.sequence
record.sequence = "TTAGAACTGAAGGCCAGCTTCACGGGCAGCATCTGCCAGTGCCTGGACACGACCATGATA
TTGGAACCCGGAACGGTCAAAGGATACATCTTTGATGCCTTTTTCCAGAGCGCGTTCAGC
GACAGCTTTACCCACAGCTGCAGCCGCGTCTTTGTTACCGGTGTACTTCAGTTGTTCAGC
GATAGCTTTTTCTACAGTAGAAGCAGCTACCAGAACTTCAGAACCGTTCGGTGCAATTAC
CTGTGCGTAAATGTGACGCGGGGTACGATGTACCACCAGGCGAGTTGCGCCCAGCTCCTG
GAGCTTGCGGCGTGCGCGGGTCGCACGACGGATACGAGCAGATTTCTTATCCATAGTGTT
ACCTTACTTCTTCTTAGCCTCTTTGGTACGCACGACTTCGTCGGCGTAACGAACACCCTT
GCCTTTATAAGGCTCAGGACGACGGTAGGCGCGCAGATCCGCTGCAACCTGGCCGATCAC
CTGCTTATCAGCGCCTTTCAGCACGATTTCAGTCTGAGTCGGACATTCAGCAGTGATACC
CGCAGGCAGCTGATGGTCAACAGGATGAGAGAAACCCAGAGACAGGTTAATCACATTGCC
TTTAACCGCTGCACGGTAACCTACACCAACCAGCTGCAGCTTCTTAGTGAAGCCTTCGGT
AACACCGATAACCATTGAGTTCAGCAGGGCACGCGCGGTACCAGCCTGTGCCCAACCGTC
TGCGTAACCATCACGCGGACCGAAGGTCAGGGTATTATCTGCATGTTTAACTTCAACAGC
ATCGTTGAGAGTACGAGTCAGCTCGCCGTTTTTACCTTTGATCGTAATAACCTGACCGTT
GATTTTTACGTCAACGCCGGCAGGAACAACGACCGGTGCTTTAGCAACACGAGACAT".to_string();
gff_write(seq_region, vec![record], &filename, true);
return Ok(());
}